N-(2-butan-2-ylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide

C26H35N3O2 — CID 84567380

About N-(2-butan-2-ylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide

N-(2-butan-2-ylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 84567380) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

• Compound Name: N-(2-butan-2-ylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
• PubChem CID: 84567380
• Molecular Formula: C26H35N3O2
• Molecular Weight: 421.59 g/mol
• Exact Mass: 421.27
• IUPAC Name: N-(2-butan-2-ylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
• SMILES: CCC(C)c1ccccc1NC(=O)CCN(CC(=O)Nc1c(C)cccc1C)C1CC1
• InChI: InChI=1S/C26H35N3O2/c1-5-18(2)22-11-6-7-12-23(22)27-24(30)15-16-29(21-13-14-21)17-25(31)28-26-19(3)9-8-10-20(26)4/h6-12,18,21H,5,13-17H2,1-4H3,(H,27,30)(H,28,31)
• InChIKey: FASFHHYIUSFXEC-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.59
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide?

The IUPAC name of N-(2-butan-2-ylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide (CID 84567380) is N-(2-butan-2-ylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide.

What is the SMILES notation for N-(2-butan-2-ylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide?

The canonical SMILES for N-(2-butan-2-ylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide is CCC(C)c1ccccc1NC(=O)CCN(CC(=O)Nc1c(C)cccc1C)C1CC1.

What is the InChIKey of N-(2-butan-2-ylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide?

The InChIKey is FASFHHYIUSFXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-5-18(2)22-11-6-7-12-23(22)27-24(30)15-16-29(21-13-14-21)17-25(31)28-26-19(3)9-8-10-20(26)4/h6-12,18,21H,5,13-17H2,1-4H3,(H,27,30)(H,28,31).

What are the key properties of N-(2-butan-2-ylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide?

N-(2-butan-2-ylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 421.59 g/mol, XLogP of 5.25, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-butan-2-ylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 84567380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).